N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine

C13H25N2P — CID 169488035

IUPACN-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(C1=CC=CC1)N(CC)CC
InChIInChI=1S/C13H25N2P/c1-5-14(6-2)16(15(7-3)8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3
InChIKeyQPFUXZKJLSMYHR-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.83
Rot. Bonds7

About N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine

N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine (PubChem CID 169488035) has the molecular formula C13H25N2P and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine
PubChem CID169488035
Molecular FormulaC13H25N2P
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC NameN-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(C1=CC=CC1)N(CC)CC
InChIInChI=1S/C13H25N2P/c1-5-14(6-2)16(15(7-3)8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3
InChIKeyQPFUXZKJLSMYHR-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 12996153
dibutyl(cyclopenta-1,3-dien-1-yl)phosphane
CID 157457029
1-[[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-cyclopenta-1,3-dien-1-ylphosphanyl]phosphanyl]cyclopenta-1,3-diene
CID 101382524
1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol
CID 139039878
CID 18430518
CID 18430518
1-ethylcyclopenta-1,3-diene
CID 528166
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
6-diazo-N,N-diethylcyclohexa-1,3-dien-1-amine
CID 23126790
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 138466034

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine (CID 169488035) is N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine is CCN(CC)P(C1=CC=CC1)N(CC)CC.
What is the InChIKey of N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine?
The InChIKey is QPFUXZKJLSMYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2P/c1-5-14(6-2)16(15(7-3)8-4)13-11-9-10-12-13/h9-11H,5-8,12H2,1-4H3.
What are the key properties of N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine?
N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine has a molecular weight of 240.33 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 169488035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).